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Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco (2000) Diradical and Peroxirane Pathways in the [π2 + π2] Cycloaddition Reactions of1ΔgDioxygen with Ethene, Methyl Vinyl Ether, and Butadiene:  A Density Functional and Multireference Perturbation Theory Study. Journal Of The American Chemical Society, 122 (7) 1414-1423 doi:10.1021/ja990805a

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Reference TypeJournal (article/letter/editorial)
TitleDiradical and Peroxirane Pathways in the [π2 + π2] Cycloaddition Reactions of1ΔgDioxygen with Ethene, Methyl Vinyl Ether, and Butadiene:  A Density Functional and Multireference Perturbation Theory Study
JournalJournal Of The American Chemical Society
AuthorsMaranzana, AndreaAuthor
Ghigo, GiovanniAuthor
Tonachini, GlaucoAuthor
Year2000 (February)Volume122
Issue7
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja990805aSearch in ResearchGate
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Mindat Ref. ID1569797Long-form Identifiermindat:1:5:1569797:4
GUID0
Full ReferenceMaranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco (2000) Diradical and Peroxirane Pathways in the [π2 + π2] Cycloaddition Reactions of1ΔgDioxygen with Ethene, Methyl Vinyl Ether, and Butadiene:  A Density Functional and Multireference Perturbation Theory Study. Journal Of The American Chemical Society, 122 (7) 1414-1423 doi:10.1021/ja990805a
Plain TextMaranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco (2000) Diradical and Peroxirane Pathways in the [π2 + π2] Cycloaddition Reactions of1ΔgDioxygen with Ethene, Methyl Vinyl Ether, and Butadiene:  A Density Functional and Multireference Perturbation Theory Study. Journal Of The American Chemical Society, 122 (7) 1414-1423 doi:10.1021/ja990805a
In(2000, February) Journal Of The American Chemical Society Vol. 122 (7) American Chemical Society (ACS)

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Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco (2003) The 1Δg Dioxygen Ene Reaction with Propene: A Density Functional and Multireference Perturbation Theory Mechanistic Study. Chemistry - A European Journal, 9 (11). 2616-2626 doi:10.1002/chem.200204522
Ghigo, Giovanni, Tonachini, Glauco (1999) Density functional, single and multireference perturbation theory study of the reaction 3ΣgO2+HOCH2CH2⋅→HOO⋅+HOCH=CH2, modeling an important step in tropospheric benzene oxidation. The Journal of Chemical Physics, 110 (15). 7298-7304 doi:10.1063/1.478632
Ghigo, Giovanni, Maranzana, Andrea, Tonachini, Glauco (2003) Combustion and atmospheric oxidation of hydrocarbons: Theoretical study of the methyl peroxyl self-reaction. The Journal of Chemical Physics, 118 (23). 10575-10583 doi:10.1063/1.1574316
Ghigo, Giovanni, Causà, Mauro, Maranzana, Andrea, Tonachini, Glauco (2006) Aromatic Hydrocarbon Nitration under Tropospheric and Combustion Conditions. A Theoretical Mechanistic Study. The Journal of Physical Chemistry A, 110 (49). 13270-13282 doi:10.1021/jp064459c
Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco, Barker, John R. (2008) Tropospheric Oxidation of Ethyne and But-2-yne. 1. Theoretical Mechanistic Study. The Journal of Physical Chemistry A, 112 (16). 3656-3665 doi:10.1021/jp077174o
Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco (2015) Combustive, Postcombustive, and Tropospheric Butadiyne Oxidation by O2, Following Initial HO Attack. Theoretical Study. The Journal of Physical Chemistry A, 119 (40). 10172-10180 doi:10.1021/acs.jpca.5b06548
Ghigo, Giovanni, Maranzana, Andrea, Tonachini, Glauco, Zicovich-Wilson, Claudio M., Causà, Mauro (2004) Modeling Soot and Its Functionalization under Atmospheric or Combustion Conditions by Density Functional Theory within Molecular (Polycyclic-Aromatic-Hydrocarbon-like) and Periodic Methodologies. The Journal of Physical Chemistry B, 108 (10). 3215-3223 doi:10.1021/jp037011+
Maranzana, Andrea, Giordana, Anna, Indarto, Antonius, Tonachini, Glauco, Barone, Vincenzo, Causà, Mauro, Pavone, Michele (2013) Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes. The Journal of Chemical Physics, 139 (24). 244306pp. doi:10.1063/1.4846295
Indarto, Antonius, Giordana, Anna, Ghigo, Giovanni, Maranzana, Andrea, Tonachini, Glauco (2010) Polycyclic aromatic hydrocarbon formation mechanism in the “particle phase”. A theoretical study. Physical Chemistry Chemical Physics, 12 (32). 9429pp. doi:10.1039/c000491j
Maranzana, Andrea, Ghigo, Giovanni, Tonachini, Glauco (2017) Anthracene and phenanthrene tropospheric oxidation promoted by the nitrate radical in the gas-phase. Theoretical modelistic study. Atmospheric Environment, 167. 181-189 doi:10.1016/j.atmosenv.2017.08.011
Giordana, Anna, Maranzana, Andrea, Ghigo, Giovanni, Causà, Mauro, Tonachini, Glauco (2011) Border Reactivity of Polycyclic Aromatic Hydrocarbons and Soot Platelets Toward Ozone. A Theoretical Study. The Journal of Physical Chemistry A, 115 (4). 470-481 doi:10.1021/jp1067044
 
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